IF7

Iodine heptafluoride · Iodine(VII) fluoride

Iodine heptafluoride is a thermodynamically stable interhalogen compound that functions as a potent fluorinating agent in chemical synthesis.

FI
Crystal structure of IF7
Ground-state structure · Materials Project
Overview

About Iodine heptafluoride

Iodine heptafluoride is a distinctive interhalogen compound characterized by its high degree of fluorination. As a thermodynamically stable species situated on the convex hull, it represents a robust chemical configuration that has been extensively documented across numerous structural databases.

This material exhibits semiconducting electronic character, distinguishing it from more common metallic or insulating halides. Its unique structural chemistry and reactivity make it a significant subject of study for researchers investigating high-valence halogen interactions and specialized chemical synthesis.

At a glance

Key Properties

Cross-validated computational properties for Iodine heptafluoride, aggregated across 3 databases.

Band Gap

1.44–1.80 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

21
3 databases, 6 space groups
Uses

Applications

Where Iodine heptafluoride is used.

Fluorinating agentChemical synthesisOxidizing agent
Intellectual Property

Patent Landscape

1 patent reference IF7 or close compositional variants.

PatentTitleAssigneeGranted
9676626IF7-derived iodine fluoride compound recovery method and recovery device
Reference

Frequently Asked Questions

Common questions about Iodine heptafluoride, answered from cross-validated data.

What is IF7?

Iodine heptafluoride is a thermodynamically stable interhalogen compound that functions as a potent fluorinating agent in chemical synthesis.

More questions
What is IF7 used for?
Iodine heptafluoride (IF7) is used in fluorinating agent, chemical synthesis, and oxidizing agent.
What is the band gap of IF7?
Iodine heptafluoride (IF7) has a DFT-computed band gap of 1.44–1.80 eV across 21 reported structures.
Is IF7 a metal, semiconductor, or insulator?
With a band gap up to 1.80 eV it is a semiconductor.
Is IF7 thermodynamically stable?
Yes — Iodine heptafluoride (IF7) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of IF7 are known?
21 structures of IF7 are reported across 3 databases, spanning 6 distinct space groups.
What elements does IF7 contain?
Iodine heptafluoride (IF7) contains F and I (2 elements).
Where does the data for IF7 come from?
IF7 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a singular interhalogen representative in this context, iodine heptafluoride serves as a benchmark for high-coordination chemistry. It demonstrates the structural versatility possible when iodine achieves its maximum oxidation state, providing a baseline for understanding the stability and electronic behavior of complex polyfluorinated species.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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